4-[(4-acetamidophenyl)methylamino]benzoic acid

C16H16N2O3 — CID 43139218

IUPAC4-[(4-acetamidophenyl)methylamino]benzoic acid
SMILESCC(=O)Nc1ccc(CNc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-11(19)18-15-6-2-12(3-7-15)10-17-14-8-4-13(5-9-14)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyPCXQAXISRJOCQC-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.96
Rot. Bonds5

About 4-[(4-acetamidophenyl)methylamino]benzoic acid

4-[(4-acetamidophenyl)methylamino]benzoic acid (PubChem CID 43139218) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(4-acetamidophenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-acetamidophenyl)methylamino]benzoic acid
PubChem CID43139218
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-[(4-acetamidophenyl)methylamino]benzoic acid
SMILESCC(=O)Nc1ccc(CNc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-11(19)18-15-6-2-12(3-7-15)10-17-14-8-4-13(5-9-14)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyPCXQAXISRJOCQC-UHFFFAOYSA-N
XLogP2.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(diethylcarbamoyl)anilino]methyl]benzoic acid
CID 122033517
4-(4-acetamidoanilino)benzoic acid
CID 11425691
4-[(3,4-dichloroanilino)methyl]benzoic acid
CID 62216410
4-[[4-(cyanomethyl)anilino]methyl]benzoic acid
CID 62301512
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
4-[[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)anilino]methyl]benzoic acid
CID 122032650
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-acetamidobenzoic acid;butanoic acid
CID 159836092
4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298256
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
3-(4-acetamidoanilino)-2,2-dimethylpropanoic acid
CID 79629806
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetamidophenyl)methylamino]benzoic acid?
The IUPAC name of 4-[(4-acetamidophenyl)methylamino]benzoic acid (CID 43139218) is 4-[(4-acetamidophenyl)methylamino]benzoic acid.
What is the SMILES notation for 4-[(4-acetamidophenyl)methylamino]benzoic acid?
The canonical SMILES for 4-[(4-acetamidophenyl)methylamino]benzoic acid is CC(=O)Nc1ccc(CNc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-acetamidophenyl)methylamino]benzoic acid?
The InChIKey is PCXQAXISRJOCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(19)18-15-6-2-12(3-7-15)10-17-14-8-4-13(5-9-14)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-acetamidophenyl)methylamino]benzoic acid?
4-[(4-acetamidophenyl)methylamino]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetamidophenyl)methylamino]benzoic acid is sourced from PubChem (CID 43139218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).